1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene

C12H11F13 — CID 154155463

IUPAC1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene
SMILESCC(CCCF)C(F)(F)C(F)(F)C(F)(F)C(F)(C=C(F)F)C(F)(F)F
InChIInChI=1S/C12H11F13/c1-6(3-2-4-13)9(17,18)11(21,22)10(19,20)8(16,5-7(14)15)12(23,24)25/h5-6H,2-4H2,1H3
InChIKeyXPBQXRSMTUNKRR-UHFFFAOYSA-N
MW402.19 g/mol
LogP6.33
Rot. Bonds8

About 1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene

1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene (PubChem CID 154155463) has the molecular formula C12H11F13 and a molecular weight of 402.19 g/mol. Its IUPAC name is 1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene.

Molecular Properties

Compound Name1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene
PubChem CID154155463
Molecular FormulaC12H11F13
Molecular Weight402.19 g/mol
Exact Mass402.07
IUPAC Name1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene
SMILESCC(CCCF)C(F)(F)C(F)(F)C(F)(F)C(F)(C=C(F)F)C(F)(F)F
InChIInChI=1S/C12H11F13/c1-6(3-2-4-13)9(17,18)11(21,22)10(19,20)8(16,5-7(14)15)12(23,24)25/h5-6H,2-4H2,1H3
InChIKeyXPBQXRSMTUNKRR-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.19
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 12045648
1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-Hexacosafluoro-8-prop-2-enylpentadecane
CID 162538604
5-Ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane
CID 19760605
1-(2,2-Difluoroethenyl)-4-propylcyclohexane
CID 19961267
12,12,13,13,13-Pentafluoro-8-methyltridec-1-ene
CID 20579541
13,13,14,14,14-Pentafluoro-8-methyltetradec-1-ene
CID 20579542
13,13,14,14,14-Pentafluoro-9-methyltetradec-1-ene
CID 20579543
14,14,15,15,15-Pentafluoro-8-methylpentadec-1-ene
CID 20579544
14,14,15,15,15-Pentafluoro-9-methylpentadec-1-ene
CID 20579546
15,15,16,16,16-Pentafluoro-8-methylhexadec-1-ene
CID 20579547
15,15,16,16,16-Pentafluoro-9-methylhexadec-1-ene
CID 20579548

Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene?
The IUPAC name of 1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene (CID 154155463) is 1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene.
What is the SMILES notation for 1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene?
The canonical SMILES for 1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene is CC(CCCF)C(F)(F)C(F)(F)C(F)(F)C(F)(C=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene?
The InChIKey is XPBQXRSMTUNKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F13/c1-6(3-2-4-13)9(17,18)11(21,22)10(19,20)8(16,5-7(14)15)12(23,24)25/h5-6H,2-4H2,1H3.
What are the key properties of 1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene?
1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene has a molecular weight of 402.19 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,4,5,5,6,6,10-decafluoro-7-methyl-3-(trifluoromethyl)dec-1-ene is sourced from PubChem (CID 154155463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).